[4-(trifluoromethyl)phenyl]sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate

Systemtic Name: [4-(trifluoromethyl)phenyl]sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate Openeye Name: [4-(trifluoromethyl)phenyl]sulfonyl 3-(4-aminoquinazolin-2-yl)propanoate CAS Name: 3-(4-amino-2-quinazolinyl)propanoic acid [4-(trifluoromethyl)phenyl]sulfonyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]sulfonyl 3-(4-aminoquinazolin-2-yl)propanoate Traditional Name: 3-(4-aminoquinazolin-2-yl)propionic acid [4-(trifluoromethyl)phenyl]sulfonyl ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CCC(=O)OS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CCC(=O)OS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C18H14F3N3O4S/c19-18(20,21)11-5-7-12(8-6-11)29(26,27)28-16(25)10-9-15-23-14-4-2-1-3-13(14)17(22)24-15/h1-8H,9-10H2,(H2,22,23,24)